methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate

C10H14N2O3 — CID 55211793

IUPACmethyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1ncccc1C
InChIInChI=1S/C10H14N2O3/c1-7-4-3-5-11-9(7)12-8(6-13)10(14)15-2/h3-5,8,13H,6H2,1-2H3,(H,11,12)
InChIKeyAZYBWMWNNJPXAH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.34
Rot. Bonds4

About methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate

methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate (PubChem CID 55211793) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
PubChem CID55211793
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1ncccc1C
InChIInChI=1S/C10H14N2O3/c1-7-4-3-5-11-9(7)12-8(6-13)10(14)15-2/h3-5,8,13H,6H2,1-2H3,(H,11,12)
InChIKeyAZYBWMWNNJPXAH-UHFFFAOYSA-N
XLogP0.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate
CID 104733374
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
CID 114571199
methyl 2-[(5-bromoisoquinolin-1-yl)amino]-3-hydroxypropanoate
CID 106541901
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 104733378

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate (CID 55211793) is methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate is COC(=O)C(CO)Nc1ncccc1C.
What is the InChIKey of methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
The InChIKey is AZYBWMWNNJPXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-4-3-5-11-9(7)12-8(6-13)10(14)15-2/h3-5,8,13H,6H2,1-2H3,(H,11,12).
What are the key properties of methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 55211793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).